Structure of Manganese Oxide Nanoparticles Extracted via Pair Distribution Functions

Abstract

The structure of nanoparticles has been difficult to determine accurately because the traditional structure methods rely on large monocrystals. Here, we discuss the structure of nanoparticles based on real-space modeling of the pair distribution function obtained by a Fourier transformation of the high-energy X-ray scattering structure factor. In particular, we consider X-ray scattering data taken from colloidal manganese oxide nanoparticles used in Lithium-ion batteries, air-purification, and biomedical systems, which are known to exist in various nanometer-sized polymorphs. Insight is thus obtained into characterizing the structural relaxation of the MnO6 octahedra, which are the key building blocks of oxide nanoparticles, important in many technologies.

Characterisation of intergrowth in metal oxide materials using structure-mining: the case of γ-MnO2

“…No evidence of a significant fraction of remaining Mn 2+ ions from the precursors could be observed. Mn 2+ containing compounds would likely give rise to a Mn-O peak around 2.2 Å in the PDF, 38 which is not observed in our experimental data. Furthermore, synthesis of manganese oxides often leads to the formation of manganese dioxide hydrate MnO(OH) 2 that give rise to a peak on the XRD data around 0.5 Å −1 .…”

Structural Properties of Nanometer‐Sized Gold Nanoparticles on a Silicon Substrate

“…The internal structure of these NPs was investigated via a quantitative evaluation of the pair distribution function (PDF), , based on high‐energy XRD (HE‐XRD) measurements, which are a powerful approach for determining structures of noncrystalline and disordered materials, and NPs. [ 20,24–46 ] We identify significant modifications in the structure of Au NPs upon deposition on the Si surface and our analysis clearly supports the formation of a Au‐silicide thin layer at the Au/Si interface. Properties of the Au–Si interface have been investigated by Hiraki et al, [ 47 ] who proposed that the interaction of Au with the Si substrate enables Si atoms to diffuse to the Au surface.…”

Structural properties of PbTe quantum dots revealed by high-energy x-ray diffraction

“…The HR-TEM picture of the NPs was taken before deposition onto the substrate. This deposition of NPs, in fact, alters the crystallinity of nanoparticles as discussed by Pussi et al [54]. In particular, atomic structures of the NPs can relax in the presence of surfactant ligands, and result in significant geometrical rearrangements of the NPs surface as suggested by simulations [56,57] as well as experiments [45,58].…”